CID 11171982

2-amino-6-bromo-4-methoxyphenol

Structural Information

Molecular Formula

C₇H₈BrNO₂

SMILES

COC1=CC(=C(C(=C1)Br)O)N

InChI

InChI=1S/C7H8BrNO2/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,10H,9H2,1H3

InChIKey

QOWCASMWCNULKH-UHFFFAOYSA-N

Compound name

2-amino-6-bromo-4-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 216.97385 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.98113	137.2
[M+Na]+	239.96307	140.2
[M+NH4]+	235.00767	141.8
[M+K]+	255.93701	141.0
[M-H]-	215.96657	137.8
[M+Na-2H]-	237.94852	140.2
[M]+	216.97330	136.5
[M]-	216.97440	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe